Compound Detail
CHEMBL5566235
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Basic Information
| ChEMBL ID | CHEMBL5566235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZCPETDLOYWCPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
2.26
ALogP
10
HBA
1
HBD
98.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 3.6 | nM | 8.44 | Inhibition of human full-length DNA-PK using EPPLSQEAFADLWKK as substrate incuba... | 38587857 |
| Jurkat | IC50 | = | 9400.0 | nM | 5.03 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38587857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38587857 | 10.1021/acs.jmedchem.3c02231 | DNA-dependent protein kinase catalytic subunit | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | CT26 | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | B16-F10 | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine